smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)CC1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccc(NC(=O)C3CC3)cc2)C1=O ZINC001337297501 1066471629 /nfs/dbraw/zinc/47/16/29/1066471629.db2.gz BBNBPEBCDLZQNJ-QFIPXVFZSA-N 0 2 478.618 4.426 20 30 JIEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccc(NC(=O)C3CC3)cc2)C1=O ZINC001337297501 1066471643 /nfs/dbraw/zinc/47/16/43/1066471643.db2.gz BBNBPEBCDLZQNJ-QFIPXVFZSA-N 0 2 478.618 4.426 20 30 JIEDLN N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1nc(N)c2ccccc2n1 ZINC001347062712 1066670978 /nfs/dbraw/zinc/67/09/78/1066670978.db2.gz CDWSAGSPJRELJL-INIZCTEOSA-N 0 2 490.317 4.239 20 30 JIEDLN O=C(COc1ccc(C(F)(F)F)cc1)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 ZINC001317886219 1066755362 /nfs/dbraw/zinc/75/53/62/1066755362.db2.gz CIQSHPIJHNYEBQ-UHFFFAOYSA-N 0 2 468.297 4.492 20 30 JIEDLN Cc1cccc(C)c1N=C1SC(CC(=O)NC2CC2)C(=O)N1CCc1ccc(N(C)C)cc1 ZINC001318120516 1066909914 /nfs/dbraw/zinc/90/99/14/1066909914.db2.gz LTRRJXRVBMGSNQ-QFIPXVFZSA-N 0 2 464.635 4.212 20 30 JIEDLN Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCc1ccc(N(C)C)cc1 ZINC001318120516 1066909926 /nfs/dbraw/zinc/90/99/26/1066909926.db2.gz LTRRJXRVBMGSNQ-QFIPXVFZSA-N 0 2 464.635 4.212 20 30 JIEDLN Cc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCc2ccc(N(C)C)cc2)c1C ZINC001318165966 1066933676 /nfs/dbraw/zinc/93/36/76/1066933676.db2.gz JNJUTEUTUDHOKZ-HSZRJFAPSA-N 0 2 464.635 4.212 20 30 JIEDLN Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2ccc(N(C)C)cc2)c1C ZINC001318165966 1066933684 /nfs/dbraw/zinc/93/36/84/1066933684.db2.gz JNJUTEUTUDHOKZ-HSZRJFAPSA-N 0 2 464.635 4.212 20 30 JIEDLN Cc1cc(C)cc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCc2ccc(N(C)C)cc2)c1 ZINC001318265452 1066991540 /nfs/dbraw/zinc/99/15/40/1066991540.db2.gz FTRHBEYKNCGEBQ-HSZRJFAPSA-N 0 2 464.635 4.212 20 30 JIEDLN Cc1cc(C)cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2ccc(N(C)C)cc2)c1 ZINC001318265452 1066991553 /nfs/dbraw/zinc/99/15/53/1066991553.db2.gz FTRHBEYKNCGEBQ-HSZRJFAPSA-N 0 2 464.635 4.212 20 30 JIEDLN O=C(CC1SC(=Nc2ccccc2Cl)N(C[C@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001324172145 1067334592 /nfs/dbraw/zinc/33/45/92/1067334592.db2.gz QONROHCNCVMOOI-YLJYHZDGSA-N 0 2 457.983 4.015 20 30 JIEDLN O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C[C@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001324172145 1067334609 /nfs/dbraw/zinc/33/46/09/1067334609.db2.gz QONROHCNCVMOOI-YLJYHZDGSA-N 0 2 457.983 4.015 20 30 JIEDLN CSc1[nH]c(=O)c(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1C#N ZINC001336911702 1066451154 /nfs/dbraw/zinc/45/11/54/1066451154.db2.gz HDHXKEJCHRHHBY-UHFFFAOYSA-N 0 2 464.572 4.202 20 30 JIEDLN CNC(=O)CC1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2cc3cccc(OC)c3o2)C1=O ZINC001338445901 1066555454 /nfs/dbraw/zinc/55/54/54/1066555454.db2.gz JBEIMQUGUBNWSQ-GOSISDBHSA-N 0 2 489.500 4.311 20 30 JIEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2cc3cccc(OC)c3o2)C1=O ZINC001338445901 1066555465 /nfs/dbraw/zinc/55/54/65/1066555465.db2.gz JBEIMQUGUBNWSQ-GOSISDBHSA-N 0 2 489.500 4.311 20 30 JIEDLN N#C[C@@H](C(=O)c1nc(-c2ccccc2)oc1C1CC1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC001347093028 1066675431 /nfs/dbraw/zinc/67/54/31/1066675431.db2.gz RGXVVENWYQLADW-NRFANRHFSA-N 0 2 480.528 4.126 20 30 JIEDLN Cc1ccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2Cc2ccc(NC(=O)C3CC3)cc2)c(C)c1 ZINC001317818569 1066706936 /nfs/dbraw/zinc/70/69/36/1066706936.db2.gz ZFTBBZUFMJYIFA-QHCPKHFHSA-N 0 2 490.629 4.452 20 30 JIEDLN Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccc(NC(=O)C3CC3)cc2)c(C)c1 ZINC001317818569 1066706944 /nfs/dbraw/zinc/70/69/44/1066706944.db2.gz ZFTBBZUFMJYIFA-QHCPKHFHSA-N 0 2 490.629 4.452 20 30 JIEDLN O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001317887080 1066756601 /nfs/dbraw/zinc/75/66/01/1066756601.db2.gz VPQBYMXYIAZYGP-LLVKDONJSA-N 0 2 499.408 4.085 20 30 JIEDLN Cc1c(C(=O)Nc2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)cnn1-c1ccccc1F ZINC001317896060 1066766107 /nfs/dbraw/zinc/76/61/07/1066766107.db2.gz TZNONJAQIRYABS-UHFFFAOYSA-N 0 2 468.354 4.341 20 30 JIEDLN O=C(CC1SC(=Nc2ccc(F)c(Cl)c2)N(C[C@@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001317986325 1066833901 /nfs/dbraw/zinc/83/39/01/1066833901.db2.gz ZHCWHGRYVBIFTP-OXJNMPFZSA-N 0 2 475.973 4.154 20 30 JIEDLN O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C[C@@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001317986325 1066833906 /nfs/dbraw/zinc/83/39/06/1066833906.db2.gz ZHCWHGRYVBIFTP-OXJNMPFZSA-N 0 2 475.973 4.154 20 30 JIEDLN O=C(CC1SC(=Nc2ccc(Cl)cc2)N(C[C@@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001318002462 1066844673 /nfs/dbraw/zinc/84/46/73/1066844673.db2.gz HETGZRAVTQCTQA-PXNSSMCTSA-N 0 2 457.983 4.015 20 30 JIEDLN O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001318002462 1066844679 /nfs/dbraw/zinc/84/46/79/1066844679.db2.gz HETGZRAVTQCTQA-PXNSSMCTSA-N 0 2 457.983 4.015 20 30 JIEDLN Cc1csc(CCCN2C(=O)C(CC(=O)NC3CC3)SC2=Nc2ccc(C)cc2C)n1 ZINC001318155721 1066928544 /nfs/dbraw/zinc/92/85/44/1066928544.db2.gz UKUIEIKLQIXLLK-LJQANCHMSA-N 0 2 456.637 4.301 20 30 JIEDLN Cc1csc(CCCN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)cc2C)n1 ZINC001318155721 1066928556 /nfs/dbraw/zinc/92/85/56/1066928556.db2.gz UKUIEIKLQIXLLK-LJQANCHMSA-N 0 2 456.637 4.301 20 30 JIEDLN Cc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCc2ccc(N(C)C)cc2)c1C ZINC001318165969 1066933874 /nfs/dbraw/zinc/93/38/74/1066933874.db2.gz JNJUTEUTUDHOKZ-QHCPKHFHSA-N 0 2 464.635 4.212 20 30 JIEDLN Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2ccc(N(C)C)cc2)c1C ZINC001318165969 1066933885 /nfs/dbraw/zinc/93/38/85/1066933885.db2.gz JNJUTEUTUDHOKZ-QHCPKHFHSA-N 0 2 464.635 4.212 20 30 JIEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2C)N(Cc2cc3cccc(OC)c3o2)C1=O ZINC001318269363 1066993729 /nfs/dbraw/zinc/99/37/29/1066993729.db2.gz AEZOSFKDPSZXKU-FQEVSTJZSA-N 0 2 451.548 4.326 20 30 JIEDLN CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2cc3cccc(OC)c3o2)C1=O ZINC001318269363 1066993744 /nfs/dbraw/zinc/99/37/44/1066993744.db2.gz AEZOSFKDPSZXKU-FQEVSTJZSA-N 0 2 451.548 4.326 20 30 JIEDLN Cc1csc(CCCN2C(=O)C(CC(=O)NC3CC3)SC2=Nc2cc(C)cc(C)c2)n1 ZINC001318317459 1067014208 /nfs/dbraw/zinc/01/42/08/1067014208.db2.gz CMAKHBXUJPGTEX-IBGZPJMESA-N 0 2 456.637 4.301 20 30 JIEDLN Cc1csc(CCCN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cc(C)cc(C)c2)n1 ZINC001318317459 1067014218 /nfs/dbraw/zinc/01/42/18/1067014218.db2.gz CMAKHBXUJPGTEX-IBGZPJMESA-N 0 2 456.637 4.301 20 30 JIEDLN Cc1c(Cl)cccc1N=C1SC(CC(=O)NCc2ccccc2)C(=O)N1C[C@H]1CCOC1 ZINC001319941011 1067082860 /nfs/dbraw/zinc/08/28/60/1067082860.db2.gz XEIWPWZCQWNUMN-NQIIRXRSSA-N 0 2 472.010 4.323 20 30 JIEDLN Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1C[C@H]1CCOC1 ZINC001319941011 1067082882 /nfs/dbraw/zinc/08/28/82/1067082882.db2.gz XEIWPWZCQWNUMN-NQIIRXRSSA-N 0 2 472.010 4.323 20 30 JIEDLN CC(C)c1ccc(N=C2SC(CC(=O)NCc3ccccc3)C(=O)N2C[C@H]2CCOC2)cc1 ZINC001321972195 1067235439 /nfs/dbraw/zinc/23/54/39/1067235439.db2.gz WESBZZFQLRMGFP-NFBKMPQASA-N 0 2 465.619 4.485 20 30 JIEDLN CC(C)c1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2C[C@H]2CCOC2)cc1 ZINC001321972195 1067235452 /nfs/dbraw/zinc/23/54/52/1067235452.db2.gz WESBZZFQLRMGFP-NFBKMPQASA-N 0 2 465.619 4.485 20 30 JIEDLN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(Br)cc(Br)c2O)CC1 ZINC001335316897 1066409182 /nfs/dbraw/zinc/40/91/82/1066409182.db2.gz FOERNNZFJSEQPF-QGZVFWFLSA-N 0 2 497.162 4.079 20 30 JIEDLN CNC(=O)CC1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2cc3cccc(OC)c3o2)C1=O ZINC001338448781 1066556178 /nfs/dbraw/zinc/55/61/78/1066556178.db2.gz WZKRDNKUNJCJRI-NRFANRHFSA-N 0 2 481.574 4.496 20 30 JIEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2cc3cccc(OC)c3o2)C1=O ZINC001338448781 1066556193 /nfs/dbraw/zinc/55/61/93/1066556193.db2.gz WZKRDNKUNJCJRI-NRFANRHFSA-N 0 2 481.574 4.496 20 30 JIEDLN N#C[C@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1nc(N)c2ccccc2n1 ZINC001342516920 1066595428 /nfs/dbraw/zinc/59/54/28/1066595428.db2.gz CXSHXHGZBAXGFP-MRXNPFEDSA-N 0 2 484.438 4.232 20 30 JIEDLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2csc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC001317935074 1066795012 /nfs/dbraw/zinc/79/50/12/1066795012.db2.gz KUAXGIKEYIZNMI-UHFFFAOYSA-N 0 2 475.552 4.430 20 30 JIEDLN CNC(=O)C[C@H]1S/C(=N\CCc2ccc(Cl)cc2Cl)N(CCCc2nc(C)cs2)C1=O ZINC001318157551 1066929835 /nfs/dbraw/zinc/92/98/35/1066929835.db2.gz RMAJPNKTUZWOCG-PVCXERSVSA-N 0 2 499.489 4.370 20 30 JIEDLN CC(C)c1cccc(N=C2SC(CC(=O)NCc3ccccc3)C(=O)N2CC(=O)N2CCCC2)c1 ZINC001318320952 1067015847 /nfs/dbraw/zinc/01/58/47/1067015847.db2.gz PZBHTMWDAQUYTF-QHCPKHFHSA-N 0 2 492.645 4.070 20 30 JIEDLN CC(C)c1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2CC(=O)N2CCCC2)c1 ZINC001318320952 1067015862 /nfs/dbraw/zinc/01/58/62/1067015862.db2.gz PZBHTMWDAQUYTF-QHCPKHFHSA-N 0 2 492.645 4.070 20 30 JIEDLN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 ZINC001318362143 1067030763 /nfs/dbraw/zinc/03/07/63/1067030763.db2.gz SXTPGZGQSIRIJW-CYBMUJFWSA-N 0 2 467.391 4.369 20 30 JIEDLN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 ZINC001318361602 1067031145 /nfs/dbraw/zinc/03/11/45/1067031145.db2.gz JKCPESPDXXNHTP-ZCFIWIBFSA-N 0 2 450.307 4.140 20 30 JIEDLN O=C(CC1SC(=Nc2cccc(Cl)c2)N(C[C@@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001319940995 1067082591 /nfs/dbraw/zinc/08/25/91/1067082591.db2.gz WXDVCYUYTXAXBS-PXNSSMCTSA-N 0 2 457.983 4.015 20 30 JIEDLN O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C[C@@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001319940995 1067082604 /nfs/dbraw/zinc/08/26/04/1067082604.db2.gz WXDVCYUYTXAXBS-PXNSSMCTSA-N 0 2 457.983 4.015 20 30 JIEDLN CCc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2Cc2ccc(NC(=O)C3CC3)cc2)c1 ZINC001321592760 1067172976 /nfs/dbraw/zinc/17/29/76/1067172976.db2.gz HAEOXWXPFBCSSO-HSZRJFAPSA-N 0 2 490.629 4.398 20 30 JIEDLN CCc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccc(NC(=O)C3CC3)cc2)c1 ZINC001321592760 1067173018 /nfs/dbraw/zinc/17/30/18/1067173018.db2.gz HAEOXWXPFBCSSO-HSZRJFAPSA-N 0 2 490.629 4.398 20 30 JIEDLN C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1CCc1ccc(N(C)C)cc1)c1cccs1 ZINC001322317476 1067275692 /nfs/dbraw/zinc/27/56/92/1067275692.db2.gz SUFIKMJBMXMIOU-TZTREGAWSA-N 0 2 470.664 4.087 20 30 JIEDLN CNC(=O)CC1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccc(NC(=O)C3CC3)cc2)C1=O ZINC001323440399 1067320371 /nfs/dbraw/zinc/32/03/71/1067320371.db2.gz HCSMUBWNTRWOFN-JOCHJYFZSA-N 0 2 478.618 4.426 20 30 JIEDLN CNC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccc(NC(=O)C3CC3)cc2)C1=O ZINC001323440399 1067320390 /nfs/dbraw/zinc/32/03/90/1067320390.db2.gz HCSMUBWNTRWOFN-JOCHJYFZSA-N 0 2 478.618 4.426 20 30 JIEDLN C#CCCCCn1c(-c2cccc(OC)c2)nnc1N(CC)Cc1nc(=O)c2sccc2[nH]1 ZINC001300345158 1068340518 /nfs/dbraw/zinc/34/05/18/1068340518.db2.gz QDEHBGJEIAYQDQ-UHFFFAOYSA-N 0 2 462.579 4.494 20 30 JIEDLN Cc1ccc(C)c(N=C2SC(CC(=O)NC3CC3)C(=O)N2Cc2ccc(NC(=O)C3CC3)cc2)c1 ZINC001337298192 1066472863 /nfs/dbraw/zinc/47/28/63/1066472863.db2.gz JOBZJEPWSTWRBQ-QHCPKHFHSA-N 0 2 490.629 4.452 20 30 JIEDLN Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccc(NC(=O)C3CC3)cc2)c1 ZINC001337298192 1066472878 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CC(C)c1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2CC(=O)N2CCCC2)cc1 ZINC001321553723 1067164204 /nfs/dbraw/zinc/16/42/04/1067164204.db2.gz RIMUZOFCMWJWDK-HSZRJFAPSA-N 0 2 492.645 4.070 20 30 JIEDLN O=C(COc1ccc(F)cc1Cl)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 ZINC001321765032 1067208326 /nfs/dbraw/zinc/20/83/26/1067208326.db2.gz UZZZVXUPGMEKIZ-UHFFFAOYSA-N 0 2 452.735 4.265 20 30 JIEDLN CSc1[nH]c(=O)c(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)cc1C#N ZINC001355001745 1067331457 /nfs/dbraw/zinc/33/14/57/1067331457.db2.gz HGADEJGGTJYYOF-MRXNPFEDSA-N 0 2 458.543 4.353 20 30 JIEDLN N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)cc1 ZINC001358084779 1068014716 /nfs/dbraw/zinc/01/47/16/1068014716.db2.gz OLAPZILHHXOZNK-UHFFFAOYSA-N 0 2 457.408 4.355 20 30 JIEDLN O=C(CC1SC(=Nc2cccc(C(F)(F)F)c2)N(C[C@@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001318002366 1066844635 /nfs/dbraw/zinc/84/46/35/1066844635.db2.gz GLACQUGWTWFHNU-PXNSSMCTSA-N 0 2 491.535 4.380 20 30 JIEDLN O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C[C@@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001318002366 1066844637 /nfs/dbraw/zinc/84/46/37/1066844637.db2.gz GLACQUGWTWFHNU-PXNSSMCTSA-N 0 2 491.535 4.380 20 30 JIEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CCc2ccc(N(C)C)cc2)C1=O ZINC001318120098 1066910036 /nfs/dbraw/zinc/91/00/36/1066910036.db2.gz FMKHVUQWWDWHLT-LJQANCHMSA-N 0 2 492.617 4.378 20 30 JIEDLN O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001350152058 1066924552 /nfs/dbraw/zinc/92/45/52/1066924552.db2.gz DDCMDJJXFFZAEH-YUMQZZPRSA-N 0 2 454.289 4.097 20 30 JIEDLN CNC(=O)CC1SC(=Nc2ccc(C#N)c(Cl)c2)N(Cc2cc3cccc(OC)c3o2)C1=O ZINC001318241903 1066979688 /nfs/dbraw/zinc/97/96/88/1066979688.db2.gz XRDUMWYVSRYIFW-IBGZPJMESA-N 0 2 482.949 4.234 20 30 JIEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(Cc2cc3cccc(OC)c3o2)C1=O ZINC001318241903 1066979697 /nfs/dbraw/zinc/97/96/97/1066979697.db2.gz XRDUMWYVSRYIFW-IBGZPJMESA-N 0 2 482.949 4.234 20 30 JIEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(CCc2ccc(N(C)C)cc2)C1=O ZINC001321202270 1067100830 /nfs/dbraw/zinc/10/08/30/1067100830.db2.gz JJQCFLULAFZTSK-FQEVSTJZSA-N 0 2 459.015 4.025 20 30 JIEDLN C[C@H](/N=C1\S[C@@H](CC(=O)NC2CC2)C(=O)N1CCc1ccc(N(C)C)cc1)c1cccs1 ZINC001322317469 1067275188 /nfs/dbraw/zinc/27/51/88/1067275188.db2.gz SUFIKMJBMXMIOU-KAVHPSCTSA-N 0 2 470.664 4.087 20 30 JIEDLN C=CCc1cc(C(=O)Nc2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)cc(OC)c1OC ZINC001323367509 1067319256 /nfs/dbraw/zinc/31/92/56/1067319256.db2.gz RCJOCGBUXHLLGN-UHFFFAOYSA-N 0 2 470.391 4.453 20 30 JIEDLN COC(=O)C[C@H](NC(=O)C(F)(F)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1 ZINC001357635940 1067880509 /nfs/dbraw/zinc/88/05/09/1067880509.db2.gz LHTVKRZUIXCLOT-AWEZNQCLSA-N 0 2 453.310 4.376 20 30 JIEDLN CNC(=O)CC1SC(=Nc2cccc(C)c2)N(Cc2ccccc2CNC(=O)OC(C)(C)C)C1=O ZINC001325287564 1066243257 /nfs/dbraw/zinc/24/32/57/1066243257.db2.gz MJFLXLDJOCZLIC-NRFANRHFSA-N 0 2 496.633 4.288 20 30 JIEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ccccc2CNC(=O)OC(C)(C)C)C1=O ZINC001325287564 1066243277 /nfs/dbraw/zinc/24/32/77/1066243277.db2.gz MJFLXLDJOCZLIC-NRFANRHFSA-N 0 2 496.633 4.288 20 30 JIEDLN O=C(CC1SC(=Nc2ccc(F)c(Cl)c2)N(C[C@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001317986326 1066833879 /nfs/dbraw/zinc/83/38/79/1066833879.db2.gz ZHCWHGRYVBIFTP-OXQOHEQNSA-N 0 2 475.973 4.154 20 30 JIEDLN O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C[C@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001317986326 1066833886 /nfs/dbraw/zinc/83/38/86/1066833886.db2.gz ZHCWHGRYVBIFTP-OXQOHEQNSA-N 0 2 475.973 4.154 20 30 JIEDLN O=C(CC1SC(=Nc2ccc(Cl)cc2)N(C[C@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001318002465 1066844739 /nfs/dbraw/zinc/84/47/39/1066844739.db2.gz HETGZRAVTQCTQA-YLJYHZDGSA-N 0 2 457.983 4.015 20 30 JIEDLN O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001318002465 1066844743 /nfs/dbraw/zinc/84/47/43/1066844743.db2.gz HETGZRAVTQCTQA-YLJYHZDGSA-N 0 2 457.983 4.015 20 30 JIEDLN CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CCc2ccc(N(C)C)cc2)C1=O ZINC001318109844 1066904264 /nfs/dbraw/zinc/90/42/64/1066904264.db2.gz CVMUVGIIBOBQQL-LJQANCHMSA-N 0 2 479.433 4.370 20 30 JIEDLN Cc1csc(CCCN2C(=O)C(CC(=O)NC3CC3)SC2=Nc2ccc(C)cc2C)n1 ZINC001318155716 1066928618 /nfs/dbraw/zinc/92/86/18/1066928618.db2.gz UKUIEIKLQIXLLK-IBGZPJMESA-N 0 2 456.637 4.301 20 30 JIEDLN Cc1csc(CCCN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)cc2C)n1 ZINC001318155716 1066928623 /nfs/dbraw/zinc/92/86/23/1066928623.db2.gz UKUIEIKLQIXLLK-IBGZPJMESA-N 0 2 456.637 4.301 20 30 JIEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2C)N(Cc2cc3cccc(OC)c3o2)C1=O ZINC001318269395 1066993531 /nfs/dbraw/zinc/99/35/31/1066993531.db2.gz AEZOSFKDPSZXKU-HXUWFJFHSA-N 0 2 451.548 4.326 20 30 JIEDLN CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2cc3cccc(OC)c3o2)C1=O ZINC001318269395 1066993544 /nfs/dbraw/zinc/99/35/44/1066993544.db2.gz AEZOSFKDPSZXKU-HXUWFJFHSA-N 0 2 451.548 4.326 20 30 JIEDLN O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccc(-n2cccn2)c(F)c1 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/nfs/dbraw/zinc/26/78/01/1067267801.db2.gz JJOYSJTWVOWJHO-HSZRJFAPSA-N 0 2 464.635 4.158 20 30 JIEDLN CCc1ccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2Cc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC001317801146 1066696859 /nfs/dbraw/zinc/69/68/59/1066696859.db2.gz XFFUBBATIAHBPH-QHCPKHFHSA-N 0 2 490.629 4.398 20 30 JIEDLN CCc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC001317801146 1066696862 /nfs/dbraw/zinc/69/68/62/1066696862.db2.gz XFFUBBATIAHBPH-QHCPKHFHSA-N 0 2 490.629 4.398 20 30 JIEDLN CC(C)c1ccc(N=C2SC(CC(=O)NCc3ccccc3)C(=O)N2C[C@H]2CCOC2)cc1 ZINC001321972197 1067235111 /nfs/dbraw/zinc/23/51/11/1067235111.db2.gz WESBZZFQLRMGFP-OFNKIYASSA-N 0 2 465.619 4.485 20 30 JIEDLN CC(C)c1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2C[C@H]2CCOC2)cc1 ZINC001321972197 1067235138 /nfs/dbraw/zinc/23/51/38/1067235138.db2.gz WESBZZFQLRMGFP-OFNKIYASSA-N 0 2 465.619 4.485 20 30 JIEDLN CNC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(CCCc2nc(C)cs2)C1=O ZINC001322307330 1067273218 /nfs/dbraw/zinc/27/32/18/1067273218.db2.gz DVUNDQJBBWGZMM-MRXNPFEDSA-N 0 2 465.044 4.422 20 30 JIEDLN C[C@H](/N=C1/S[C@@H](CC(=O)NC2CC2)C(=O)N1CCc1ccc(N(C)C)cc1)c1cccs1 ZINC001322317472 1067274889 /nfs/dbraw/zinc/27/48/89/1067274889.db2.gz SUFIKMJBMXMIOU-NDKFBNENSA-N 0 2 470.664 4.087 20 30 JIEDLN N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1nn(-c2ccccc2F)cc1Br ZINC001343292077 1066607570 /nfs/dbraw/zinc/60/75/70/1066607570.db2.gz QXFRLDLFSHAMHH-ZDUSSCGKSA-N 0 2 461.678 4.388 20 30 JIEDLN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccccc3F)cc2Br)cc1Cl ZINC001343982451 1066622267 /nfs/dbraw/zinc/62/22/67/1066622267.db2.gz IHEIRSHFHKRJCK-LBPRGKRZSA-N 0 2 491.704 4.397 20 30 JIEDLN N#Cc1ccccc1N1CCCN(C(=O)c2cc(Br)cc(Br)c2O)CC1 ZINC001346835520 1066665793 /nfs/dbraw/zinc/66/57/93/1066665793.db2.gz HBLUCTCDLFKYRH-UHFFFAOYSA-N 0 2 479.172 4.141 20 30 JIEDLN O=C(CC1SC(=Nc2ccc(Cl)cc2)N(C[C@@H]2CCOC2)C1=O)NCc1ccccc1 ZINC001318002460 1066844656 /nfs/dbraw/zinc/84/46/56/1066844656.db2.gz 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